7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one

C14H18N2O2 — CID 70381044

IUPAC7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
SMILESCOCC1CN2CCNC(=O)C2c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-18-9-10-8-16-7-6-15-14(17)13(16)12-5-3-2-4-11(10)12/h2-5,10,13H,6-9H2,1H3,(H,15,17)
InChIKeyLICVCKNRCZQKRJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.90
Rot. Bonds2

About 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one

7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one (PubChem CID 70381044) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one.

Molecular Properties

Compound Name7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
PubChem CID70381044
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one
SMILESCOCC1CN2CCNC(=O)C2c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-18-9-10-8-16-7-6-15-14(17)13(16)12-5-3-2-4-11(10)12/h2-5,10,13H,6-9H2,1H3,(H,15,17)
InChIKeyLICVCKNRCZQKRJ-UHFFFAOYSA-N
XLogP0.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one?
The IUPAC name of 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one (CID 70381044) is 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one.
What is the SMILES notation for 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one?
The canonical SMILES for 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one is COCC1CN2CCNC(=O)C2c2ccccc21.
What is the InChIKey of 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one?
The InChIKey is LICVCKNRCZQKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-9-10-8-16-7-6-15-14(17)13(16)12-5-3-2-4-11(10)12/h2-5,10,13H,6-9H2,1H3,(H,15,17).
What are the key properties of 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one?
7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one has a molecular weight of 246.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-1-one is sourced from PubChem (CID 70381044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).